# generated using pymatgen
data_V3Fe2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36139354
_cell_length_b   9.71362860
_cell_length_c   13.66591244
_cell_angle_alpha   103.38142994
_cell_angle_beta   90.00001561
_cell_angle_gamma   90.00013361
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3Fe2H32C12(NO2)6
_chemical_formula_sum   'V6 Fe4 H64 C24 N12 O24'
_cell_volume   1208.94608435
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe0  1  0.10027528  0.86997606  0.73260306  1
  Fe  Fe1  1  0.60027813  0.63001571  0.76739623  1
  Fe  Fe2  1  0.89972293  0.13002410  0.26739539  1
  Fe  Fe3  1  0.39972013  0.36998667  0.23260604  1
  V  V4  1  0.95653629  0.55865426  0.72215276  1
  V  V5  1  0.45653528  0.94133773  0.77784947  1
  V  V6  1  0.04346186  0.44134809  0.27784935  1
  V  V7  1  0.54346272  0.05866084  0.22214829  1
  V  V8  1  -0.00000013  0.99999993  0.99999952  1
  V  V9  1  0.49999956  0.50000138  0.50000105  1
  H  H10  1  0.19886821  0.19853524  0.08955722  1
  H  H11  1  0.69886246  0.30146324  0.41043998  1
  H  H12  1  0.80113221  0.80146517  0.91044216  1
  H  H13  1  0.30114005  0.69853778  0.58956213  1
  H  H14  1  0.28092734  0.10171181  0.98774675  1
  H  H15  1  0.78092607  0.39828640  0.51224812  1
  H  H16  1  0.71907327  0.89828813  0.01225324  1
  H  H17  1  0.21907448  0.60171407  0.48775421  1
  H  H18  1  0.55060011  0.43101928  0.85504881  1
  H  H19  1  0.05060141  0.06896884  0.64494744  1
  H  H20  1  0.44939874  0.56898379  0.14495471  1
  H  H21  1  0.94939852  0.93103334  0.35505187  1
  H  H22  1  0.54574305  0.21695471  0.88406421  1
  H  H23  1  0.04574139  0.28303645  0.61593819  1
  H  H24  1  0.45425615  0.78304614  0.11593418  1
  H  H25  1  0.95425881  0.71696382  0.38406277  1
  H  H26  1  0.77882374  0.03218929  0.84901353  1
  H  H27  1  0.27882303  0.46780687  0.65098811  1
  H  H28  1  0.22117512  0.96781117  0.15098507  1
  H  H29  1  0.72117768  0.53219206  0.34901411  1
  H  H30  1  0.92970428  0.10961552  0.80509304  1
  H  H31  1  0.42970500  0.39038253  0.69490796  1
  H  H32  1  0.07029495  0.89038460  0.19490506  1
  H  H33  1  0.57029492  0.60961508  0.30509391  1
  H  H34  1  0.21657909  0.33117172  0.96598232  1
  H  H35  1  0.71657924  0.16882743  0.53401525  1
  H  H36  1  0.78342194  0.66882720  0.03401544  1
  H  H37  1  0.28342261  0.83117184  0.46598595  1
  H  H38  1  0.15236607  0.18409184  0.87518537  1
  H  H39  1  0.65236808  0.31590757  0.62481272  1
  H  H40  1  0.84763407  0.81590597  0.12481328  1
  H  H41  1  0.34763245  0.68409139  0.37518869  1
  H  H42  1  0.58226474  0.36359705  0.04616776  1
  H  H43  1  0.08226685  0.13639530  0.45382927  1
  H  H44  1  0.41773459  0.63639972  0.95383041  1
  H  H45  1  0.91773230  0.86360771  0.54616941  1
  H  H46  1  0.73899841  0.43127750  0.00332449  1
  H  H47  1  0.23899990  0.06872044  0.49667566  1
  H  H48  1  0.26100082  0.56872226  0.99667500  1
  H  H49  1  0.76099860  0.93128003  0.50332317  1
  H  H50  1  0.79380879  0.25891145  0.10513693  1
  H  H51  1  0.29380716  0.24108951  0.39486384  1
  H  H52  1  0.20619297  0.74108869  0.89486160  1
  H  H53  1  0.70619512  0.75891178  0.60513717  1
  H  H54  1  0.69205262  0.12661355  0.02347978  1
  H  H55  1  0.19205087  0.37338487  0.47652384  1
  H  H56  1  0.30794859  0.87338615  0.97652017  1
  H  H57  1  0.80795195  0.62661726  0.52347674  1
  H  H58  1  0.80664620  0.33004778  0.81165713  1
  H  H59  1  0.30664878  0.16994937  0.68834364  1
  H  H60  1  0.19335337  0.66995341  0.18834248  1
  H  H61  1  0.69335069  0.83004608  0.31165413  1
  H  H62  1  0.69986746  0.18547513  0.74859982  1
  H  H63  1  0.19986864  0.31451979  0.75140087  1
  H  H64  1  0.30013218  0.81452661  0.25139909  1
  H  H65  1  0.80013175  0.68547511  0.24859938  1
  H  H66  1  0.98354128  0.35571849  0.05671408  1
  H  H67  1  0.48353929  0.14428024  0.44328601  1
  H  H68  1  0.01645960  0.64428069  0.94328359  1
  H  H69  1  0.51646176  0.85572071  0.55671516  1
  H  H70  1  0.96703850  0.36769169  0.92751610  1
  H  H71  1  0.46703918  0.13230801  0.57248490  1
  H  H72  1  0.03296273  0.63230772  0.07248201  1
  H  H73  1  0.53296192  0.86769081  0.42751556  1
  C  C74  1  0.83798953  0.13147978  0.85579420  1
  C  C75  1  0.33798975  0.36851734  0.64420681  1
  C  C76  1  0.16200970  0.86852025  0.14420402  1
  C  C77  1  0.66201036  0.63148083  0.35579466  1
  C  C78  1  0.14241131  0.24136254  0.95399849  1
  C  C79  1  0.64241126  0.25863594  0.54600029  1
  C  C80  1  0.85758929  0.75863685  0.04600030  1
  C  C81  1  0.35758990  0.74136312  0.45400117  1
  C  C82  1  0.67345604  0.33519685  0.99476283  1
  C  C83  1  0.17345601  0.16479989  0.50523720  1
  C  C84  1  0.32654423  0.66480239  0.00523603  1
  C  C85  1  0.82654370  0.83520153  0.49476250  1
  C  C86  1  0.75884438  0.22040014  0.02735908  1
  C  C87  1  0.25884416  0.27959892  0.47264255  1
  C  C88  1  0.24115660  0.77959955  0.97264008  1
  C  C89  1  0.74115740  0.72040247  0.52735827  1
  C  C90  1  0.74289955  0.23927232  0.82211191  1
  C  C91  1  0.24290037  0.26072378  0.67788854  1
  C  C92  1  0.25710010  0.76072852  0.17788701  1
  C  C93  1  0.75709949  0.73927335  0.32211127  1
  C  C94  1  0.99180029  0.29651679  0.97748155  1
  C  C95  1  0.49180005  0.20348217  0.52251865  1
  C  C96  1  0.00820028  0.70348277  0.02251616  1
  C  C97  1  0.50820132  0.79651760  0.47748266  1
  N  N98  1  0.88559677  0.17804902  0.96202602  1
  N  N99  1  0.38559718  0.32195003  0.53797470  1
  N  N100  1  0.11440321  0.82195073  0.03797222  1
  N  N101  1  0.61440357  0.67804993  0.46202686  1
  N  N102  1  0.18322161  0.14214001  0.01632687  1
  N  N103  1  0.68321897  0.35785828  0.48367023  1
  N  N104  1  0.81677898  0.85785998  0.98367244  1
  N  N105  1  0.31678232  0.64214169  0.51633169  1
  N  N106  1  0.62606651  0.29216974  0.89093078  1
  N  N107  1  0.12606753  0.20782407  0.60906938  1
  N  N108  1  0.37393288  0.70783055  0.10906811  1
  N  N109  1  0.87393161  0.79217604  0.39092991  1
  O  O110  1  0.04973605  0.92670355  0.87340184  1
  O  O111  1  0.54974174  0.57329506  0.62659789  1
  O  O112  1  0.95026358  0.07329671  0.12659693  1
  O  O113  1  0.45025825  0.42670497  0.37340451  1
  O  O114  1  0.00045838  0.99041756  0.66863317  1
  O  O115  1  0.50045840  0.50956694  0.83135889  1
  O  O116  1  0.99954145  0.00958443  0.33136643  1
  O  O117  1  0.49954115  0.49043947  0.16864861  1
  O  O118  1  0.91212532  0.41925022  0.62630639  1
  O  O119  1  0.41212826  0.08073816  0.87369891  1
  O  O120  1  0.08787394  0.58074701  0.37369891  1
  O  O121  1  0.58786962  0.91926489  0.12629561  1
  O  O122  1  0.05098179  0.68365523  0.66862032  1
  O  O123  1  0.55098368  0.81633642  0.83137946  1
  O  O124  1  0.94901217  0.31634576  0.33137799  1
  O  O125  1  0.44901515  0.18366664  0.16862148  1
  O  O126  1  0.29906351  0.85664739  0.71495509  1
  O  O127  1  0.79906567  0.64334415  0.78504875  1
  O  O128  1  0.70093426  0.14334750  0.28504506  1
  O  O129  1  0.20093205  0.35665805  0.21495283  1
  O  O130  1  0.05811817  0.50662496  0.80909123  1
  O  O131  1  0.55811346  0.99337143  0.69091083  1
  O  O132  1  0.94188307  0.49338320  0.19091191  1
  O  O133  1  0.44188462  0.00662283  0.30908475  1
